SCHEMBL7684425

SCHEMBL7684425

O=C(O)CC(NC(=O)SCCCc1ccccc1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.38
CASP3 P42574 3/20 0.34
DAGLA Q9Y4D2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGB5 P18084 1/20 0.33
DOT1L Q8TEK3 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7684400 0.96 CASP1 (0.39) CASP1CASP3MEN1ALDH1A1KMT2A
SCHEMBL7684215 0.90 CASP1 (0.40) CASP1CASP3ALDH1A1KDM4CDOT1L
SCHEMBL7686569 0.86 CASP1 (0.47) CASP1CASP3
SCHEMBL8171972 0.85 ALDH1A1 (0.39) CASP1MEN1ALDH1A1KMT2A
SCHEMBL7686951 0.85 CASP1 (0.46) CASP1CASP3
SCHEMBL7438437 0.84 P2RX7 (0.40) CASP1CASP3MEN1ALDH1A1KMT2A
SCHEMBL7680016 0.84 CASP1 (0.48) CASP1CASP3KDM4C
SCHEMBL7687230 0.83 HDAC1 (0.39) CASP1CASP3MEN1ALDH1A1KMT2A
SCHEMBL7680284 0.83 CASP1 (0.40) CASP1DAGLAMEN1ALDH1A1KMT2A
SCHEMBL7681021 0.83 CNR2 (0.38) CASP1CASP3ITGB3ITGAVITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed